2-(1-cyclopentyl-1-fluoroethyl)aniline

C13H18FN — CID 115025381

IUPAC2-(1-cyclopentyl-1-fluoroethyl)aniline
SMILESCC(F)(c1ccccc1N)C1CCCC1
InChIInChI=1S/C13H18FN/c1-13(14,10-6-2-3-7-10)11-8-4-5-9-12(11)15/h4-5,8-10H,2-3,6-7,15H2,1H3
InChIKeyVSUCQAXSJRXZPR-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.64
Rot. Bonds2

About 2-(1-cyclopentyl-1-fluoroethyl)aniline

2-(1-cyclopentyl-1-fluoroethyl)aniline (PubChem CID 115025381) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-(1-cyclopentyl-1-fluoroethyl)aniline.

Molecular Properties

Compound Name2-(1-cyclopentyl-1-fluoroethyl)aniline
PubChem CID115025381
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name2-(1-cyclopentyl-1-fluoroethyl)aniline
SMILESCC(F)(c1ccccc1N)C1CCCC1
InChIInChI=1S/C13H18FN/c1-13(14,10-6-2-3-7-10)11-8-4-5-9-12(11)15/h4-5,8-10H,2-3,6-7,15H2,1H3
InChIKeyVSUCQAXSJRXZPR-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

O-Toluidine
CID 7242
o-Tolidine
CID 8413
2,4-Dimethylaniline
CID 7250
2-Aminobiphenyl
CID 7015
2,5-Dimethylaniline
CID 7259
4-Isopropylaniline
CID 7464
2,6-Dimethylaniline
CID 6896
2-Toluidine hydrochloride
CID 12484
Diisopropylaniline
CID 32484
4,4'-Diamino-3,3'-dimethyldiphenylmethane
CID 13283
2,6-Diethylaniline
CID 11369
2-Ethylaniline
CID 11357

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyl-1-fluoroethyl)aniline?
The IUPAC name of 2-(1-cyclopentyl-1-fluoroethyl)aniline (CID 115025381) is 2-(1-cyclopentyl-1-fluoroethyl)aniline.
What is the SMILES notation for 2-(1-cyclopentyl-1-fluoroethyl)aniline?
The canonical SMILES for 2-(1-cyclopentyl-1-fluoroethyl)aniline is CC(F)(c1ccccc1N)C1CCCC1.
What is the InChIKey of 2-(1-cyclopentyl-1-fluoroethyl)aniline?
The InChIKey is VSUCQAXSJRXZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-13(14,10-6-2-3-7-10)11-8-4-5-9-12(11)15/h4-5,8-10H,2-3,6-7,15H2,1H3.
What are the key properties of 2-(1-cyclopentyl-1-fluoroethyl)aniline?
2-(1-cyclopentyl-1-fluoroethyl)aniline has a molecular weight of 207.29 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyl-1-fluoroethyl)aniline is sourced from PubChem (CID 115025381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).